methyl 2-[[3-naphthalen-2-yl-2-[[3-naphthalen-2-yl-2-(piperidin-4-ylcarbonylamino)propanoyl]amino]propanoyl]amino]-3-phenyl-propanoate

Systemtic Name: methyl 2-[[3-naphthalen-2-yl-2-[[3-naphthalen-2-yl-2-(piperidin-4-ylcarbonylamino)propanoyl]amino]propanoyl]amino]-3-phenyl-propanoate Openeye Name: methyl 2-[[3-(2-naphthyl)-2-[[3-(2-naphthyl)-2-(piperidine-4-carbonylamino)propanoyl]amino]propanoyl]amino]-3-phenyl-propanoate CAS Name: 2-[[3-(2-naphthalenyl)-2-[[3-(2-naphthalenyl)-1-oxo-2-[[oxo(4-piperidinyl)methyl]amino]propyl]amino]-1-oxopropyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-[[3-naphthalen-2-yl-2-[[3-naphthalen-2-yl-2-(piperidine-4-carbonylamino)propanoyl]amino]propanoyl]amino]-3-phenylpropanoate Traditional Name: 2-[[2-[[2-(isonipecotoylamino)-3-(2-naphthyl)propanoyl]amino]-3-(2-naphthyl)propanoyl]amino]-3-phenyl-propionic acid methyl ester Formula: C42H44N4O5 MolecularWeight: 684.82256

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC2=CC3=CC=CC=C3C=C2)NC(=O)C(CC4=CC5=CC=CC=C5C=C4)NC(=O)C6CCNCC6

Isomeric SMILES

COC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC2=CC3=CC=CC=C3C=C2)NC(=O)C(CC4=CC5=CC=CC=C5C=C4)NC(=O)C6CCNCC6

InChI

InChI=1S/C42H44N4O5/c1-51-42(50)38(25-28-9-3-2-4-10-28)46-41(49)37(27-30-16-18-32-12-6-8-14-35(32)24-30)45-40(48)36(44-39(47)33-19-21-43-22-20-33)26-29-15-17-31-11-5-7-13-34(31)23-29/h2-18,23-24,33,36-38,43H,19-22,25-27H2,1H3,(H,44,47)(H,45,48)(H,46,49)